3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one

C22H23N3O3 — CID 58229195

IUPAC3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(OC3CCCCC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H23N3O3/c26-22-25(16-8-11-19-20(12-16)24-14-23-19)21(13-27-22)15-6-9-18(10-7-15)28-17-4-2-1-3-5-17/h6-12,14,17,21H,1-5,13H2,(H,23,24)
InChIKeyNOIWGLSIDMKBAM-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.97
Rot. Bonds4

About 3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one

3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 58229195) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one
PubChem CID58229195
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(OC3CCCCC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H23N3O3/c26-22-25(16-8-11-19-20(12-16)24-14-23-19)21(13-27-22)15-6-9-18(10-7-15)28-17-4-2-1-3-5-17/h6-12,14,17,21H,1-5,13H2,(H,23,24)
InChIKeyNOIWGLSIDMKBAM-UHFFFAOYSA-N
XLogP4.97
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one (CID 58229195) is 3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one is O=C1OCC(c2ccc(OC3CCCCC3)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is NOIWGLSIDMKBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22-25(16-8-11-19-20(12-16)24-14-23-19)21(13-27-22)15-6-9-18(10-7-15)28-17-4-2-1-3-5-17/h6-12,14,17,21H,1-5,13H2,(H,23,24).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one?
3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-4-(4-cyclohexyloxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58229195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).